Project ID: plumID:21.021
Source: meta_inputs/meta_6d/plumed.dat
Originally used with PLUMED version: 2.7-mod
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
#UNITSThis command sets the internal units for the code. More detailsNATURALd1:use natural unitsDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=1,2the pair of atom that we are calculating the distance betweenCOMPONENTSd2:calculate the x, y and z components of the distance separately and store them as labelDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=1,3the pair of atom that we are calculating the distance betweenCOMPONENTScalculate the x, y and z components of the distance separately and store them as label
ff:MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d1.x,d1.y,d1.z,d2.x,d2.y,d2.zthe input to this functionVAR=x0,x1,x2,x3,x4,x5the names to give each of the arguments in the functionPERIODIC=NOif the output of your function is periodic then you should specify the periodicity of the functionFUNC=10.0*exp(-4.0*(x0-1.0)^2-4.0*(x1-1.0)^2-4.0*(x2-1.0)^2-4.0*(x3-1.0)^2-4.0*(x4-1.0)^2-4.0*(x5-1.0)^2)+10.0*exp(-4.0*(x0-1.0)^2-4.0*(x1-1.0)^2-4.0*(x2-1.0)^2-4.0*(x3-1.0)^2-4.0*(x4-1.0)^2-4.0*(x5+1.0)^2)+10.0*exp(-4.0*(x0-1.0)^2-4.0*(x1-1.0)^2-4.0*(x2-1.0)^2-4.0*(x3-1.0)^2-4.0*(x4+1.0)^2-4.0*(x5-1.0)^2)+10.0*exp(-4.0*(x0-1.0)^2-4.0*(x1-1.0)^2-4.0*(x2-1.0)^2-4.0*(x3+1.0)^2-4.0*(x4-1.0)^2-4.0*(x5+1.0)^2)+10.0*exp(-4.0*(x0-1.0)^2-4.0*(x1-1.0)^2-4.0*(x2+1.0)^2-4.0*(x3-1.0)^2-4.0*(x4+1.0)^2-4.0*(x5-1.0)^2)+10.0*exp(-4.0*(x0-1.0)^2-4.0*(x1+1.0)^2-4.0*(x2-1.0)^2-4.0*(x3+1.0)^2-4.0*(x4-1.0)^2-4.0*(x5+1.0)^2)+10.0*exp(-4.0*(x0+1.0)^2-4.0*(x1-1.0)^2-4.0*(x2+1.0)^2-4.0*(x3-1.0)^2-4.0*(x4+1.0)^2-4.0*(x5-1.0)^2)+10.0/(1.0/((5.0*x0+5.0)^2+(5.0*x1-5.0)^2+(5.0*x2+5.0)^2+(5.0*x3-5.0)^2+(5.0*x4+5.0)^2+(5.0*x5-5.0)^2+1)+1.0/((5.0*x0-5.0)^2+(5.0*x1+5.0)^2+(5.0*x2-5.0)^2+(5.0*x3+5.0)^2+(5.0*x4-5.0)^2+(5.0*x5+5.0)^2+1)+1.0/((5.0*x0-5.0)^2+(5.0*x1-5.0)^2+(5.0*x2+5.0)^2+(5.0*x3-5.0)^2+(5.0*x4+5.0)^2+(5.0*x5-5.0)^2+1)+1.0/((5.0*x0-5.0)^2+(5.0*x1-5.0)^2+(5.0*x2-5.0)^2+(5.0*x3+5.0)^2+(5.0*x4-5.0)^2+(5.0*x5+5.0)^2+1)+1.0/((5.0*x0-5.0)^2+(5.0*x1-5.0)^2+(5.0*x2-5.0)^2+(5.0*x3-5.0)^2+(5.0*x4+5.0)^2+(5.0*x5-5.0)^2+1)+1.0/((5.0*x0-5.0)^2+(5.0*x1-5.0)^2+(5.0*x2-5.0)^2+(5.0*x3-5.0)^2+(5.0*x4-5.0)^2+(5.0*x5+5.0)^2+1)+1.0/((5.0*x0-5.0)^2+(5.0*x1-5.0)^2+(5.0*x2-5.0)^2+(5.0*x3-5.0)^2+(5.0*x4-5.0)^2+(5.0*x5-5.0)^2+1)+1.0/((-2.04124145231931*x0-1.40824829046386*x1+1.40824829046386*x2-1.40824829046386*x3+1.40824829046386*x4+3.59175170953614*x5)^2.0+(-2.04124145231931*x0-1.40824829046386*x1+1.40824829046386*x2+3.59175170953614*x3+1.40824829046386*x4-1.40824829046386*x5)^2.0+(-2.04124145231931*x0+3.59175170953614*x1+1.40824829046386*x2-1.40824829046386*x3+1.40824829046386*x4-1.40824829046386*x5)^2.0+(-0.408248290463863*x0+0.408248290463863*x1-0.408248290463863*x2+0.408248290463863*x3-0.408248290463863*x4+0.408248290463863*x5)^8.0+(2.04124145231931*x0+1.40824829046386*x1-1.40824829046386*x2+1.40824829046386*x3+3.59175170953614*x4+1.40824829046386*x5)^2.0+(2.04124145231931*x0+1.40824829046386*x1+3.59175170953614*x2+1.40824829046386*x3-1.40824829046386*x4+1.40824829046386*x5)^2.0)+1.0/((-0.447213595499958*x1+0.447213595499958*x2-0.447213595499958*x3+0.447213595499958*x4-0.447213595499958*x5)^8.0+(-2.23606797749979*x0+1.0*x1-1.0*x2+1.0*x3+4.0*x4+1.0*x5+2.23606797749979)^2.0+(-2.23606797749979*x0+1.0*x1+4.0*x2+1.0*x3-1.0*x4+1.0*x5+2.23606797749979)^2.0+(2.23606797749979*x0-1.0*x1+1.0*x2-1.0*x3+1.0*x4+4.0*x5-2.23606797749979)^2.0+(2.23606797749979*x0-1.0*x1+1.0*x2+4.0*x3+1.0*x4-1.0*x5-2.23606797749979)^2.0+(2.23606797749979*x0+4.0*x1+1.0*x2-1.0*x3+1.0*x4-1.0*x5-2.23606797749979)^2.0)+1.0/((5.0*x1-5.0)^2.0+(-0.5*x2+0.5*x3-0.5*x4+0.5*x5)^8.0+(-2.5*x0+1.25*x2-1.25*x3+1.25*x4+3.75*x5+2.5)^2.0+(-2.5*x0+1.25*x2+3.75*x3+1.25*x4-1.25*x5+2.5)^2.0+(2.5*x0-1.25*x2+1.25*x3+3.75*x4+1.25*x5-2.5)^2.0+(2.5*x0+3.75*x2+1.25*x3-1.25*x4+1.25*x5-2.5)^2.0)+1.0/((5.0*x1-5.0)^2.0+(5.0*x3-5.0)^2.0+(5.0*x5-5.0)^2.0+(-0.577350269189626*x0-0.577350269189626*x2-0.577350269189626*x4)^8.0+(2.88675134594813*x0-3.94337567297407*x2+1.05662432702593*x4)^2.0+(2.88675134594813*x0+1.05662432702593*x2-3.94337567297407*x4)^2.0)+1.0/((5.0*x1-5.0)^2.0+(5.0*x2-5.0)^2.0+(-0.577350269189626*x3+0.577350269189626*x4-0.577350269189626*x5)^8.0+(-2.88675134594813*x0+1.66666666666667*x3+3.33333333333333*x4+1.66666666666667*x5+2.88675134594813)^2.0+(2.88675134594813*x0-1.66666666666667*x3+1.66666666666667*x4+3.33333333333333*x5-2.88675134594813)^2.0+(2.88675134594813*x0+3.33333333333333*x3+1.66666666666667*x4-1.66666666666667*x5-2.88675134594813)^2.0)+1.0/((5.0*x1-5.0)^2.0+(5.0*x2-5.0)^2.0+(5.0*x3-5.0)^2.0+(-0.707106781186548*x4+0.707106781186548*x5)^8.0+(-3.53553390593274*x0+2.5*x4+2.5*x5+3.53553390593274)^2.0+(3.53553390593274*x0+2.5*x4+2.5*x5-3.53553390593274)^2.0)+1.0/(1.0*(-x5)^8.0+(5.0*x0-5.0)^2.0+(5.0*x1-5.0)^2.0+(5.0*x2-5.0)^2.0+(5.0*x3-5.0)^2.0+(5.0*x4-5.0)^2.0the function you wish to evaluate
bb:BIASVALUETakes the value of one variable and use it as a bias More detailsARG=ffthe input for this action is the scalar output from one or more other actionsMETAD...Used to performed metadynamics on one or more collective variables. This action has hidden defaults. More detailsARG=d1.x,d1.y,d1.z,d2.x,d2.y,d2.zthe input for this action is the scalar output from one or more other actionsPACE=500the frequency for hill additionHEIGHT=3.0the heights of the Gaussian hillsSIGMA=0.1,0.1,0.1,0.1,0.1,0.1the widths of the Gaussian hillsBIASFACTOR=15use well tempered metadynamics and use this bias factorTEMP=1 ... mt:the system temperature - this is only needed if you are doing well-tempered metadynamicsPrint quantities to a file. More detailsARG=mt.biasthe input for this action is the scalar output from one or more other actionsFILE=mt.biasthe name of the file on which to output these quantitiesSTRIDE=500the frequency with which the quantities of interest should be outputPrint quantities to a file. More detailsARG=d1.x,d1.y,d1.z,d2.x,d2.y,d2.zthe input for this action is the scalar output from one or more other actionsSTRIDE=500the frequency with which the quantities of interest should be outputFILE=colvarthe name of the file on which to output these quantities